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Enhance run info #134

Merged
merged 1 commit into from
Jun 4, 2024
Merged

Enhance run info #134

merged 1 commit into from
Jun 4, 2024

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lucifer1004
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  1. Add a missing colon.
  2. Skip printing information for empty groups. Currently, the printed message would be:
Medium Group:
Max num_atoms: -2147483648 Max num_torsions: -2147483648 Max num_rigids: -2147483648 Max num_lig_pairs: -2147483648
Group size: 0
Large Group:
Max num_atoms: -2147483648 Max num_torsions: -2147483648 Max num_rigids: -2147483648 Max num_lig_pairs: -2147483648
Group size: 0
Extra Large Group:
Max num_atoms: -2147483648 Max num_torsions: -2147483648 Max num_rigids: -2147483648 Max num_lig_pairs: -2147483648
Group size: 0

Applying this commit would change this to:

Medium Group:
Large Group:
Extra Large Group:

@caic99 caic99 merged commit c5c340a into dptech-corp:main Jun 4, 2024
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@caic99 caic99 caic99 approved these changes

@ysyecust ysyecust ysyecust approved these changes

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@lucifer1004 @ysyecust @caic99